COMPND HMDB0248504 HETATM 1 C1 UNL 1 -5.831 -1.450 2.563 1.00 0.00 C HETATM 2 C2 UNL 1 -5.312 -0.985 1.239 1.00 0.00 C HETATM 3 C3 UNL 1 -5.917 -1.653 0.054 1.00 0.00 C HETATM 4 S1 UNL 1 -3.480 -1.103 1.209 1.00 0.00 S HETATM 5 C4 UNL 1 -3.121 0.599 0.718 1.00 0.00 C HETATM 6 C5 UNL 1 -2.644 0.729 -0.745 1.00 0.00 C HETATM 7 N1 UNL 1 -1.391 1.404 -0.731 1.00 0.00 N HETATM 8 C6 UNL 1 -0.156 0.790 -1.113 1.00 0.00 C HETATM 9 O1 UNL 1 -0.253 -0.429 -1.473 1.00 0.00 O HETATM 10 C7 UNL 1 1.153 1.443 -1.114 1.00 0.00 C HETATM 11 N2 UNL 1 2.151 0.373 -0.894 1.00 0.00 N HETATM 12 C8 UNL 1 3.122 0.036 -1.835 1.00 0.00 C HETATM 13 O2 UNL 1 3.139 0.683 -2.941 1.00 0.00 O HETATM 14 C9 UNL 1 4.111 -1.003 -1.642 1.00 0.00 C HETATM 15 C10 UNL 1 4.839 -1.460 -2.764 1.00 0.00 C HETATM 16 N3 UNL 1 5.730 -2.430 -2.609 1.00 0.00 N HETATM 17 C11 UNL 1 5.975 -3.007 -1.406 1.00 0.00 C HETATM 18 C12 UNL 1 6.902 -4.015 -1.269 1.00 0.00 C HETATM 19 C13 UNL 1 7.125 -4.588 -0.015 1.00 0.00 C HETATM 20 C14 UNL 1 6.432 -4.161 1.090 1.00 0.00 C HETATM 21 N4 UNL 1 5.537 -3.174 0.909 1.00 0.00 N HETATM 22 C15 UNL 1 5.301 -2.606 -0.278 1.00 0.00 C HETATM 23 C16 UNL 1 4.358 -1.580 -0.439 1.00 0.00 C HETATM 24 O3 UNL 1 3.765 -1.237 0.609 1.00 0.00 O HETATM 25 C17 UNL 1 1.323 2.419 -0.015 1.00 0.00 C HETATM 26 C18 UNL 1 1.468 2.071 1.292 1.00 0.00 C HETATM 27 C19 UNL 1 1.626 3.019 2.302 1.00 0.00 C HETATM 28 C20 UNL 1 1.638 4.343 2.004 1.00 0.00 C HETATM 29 C21 UNL 1 1.493 4.716 0.691 1.00 0.00 C HETATM 30 C22 UNL 1 1.336 3.765 -0.319 1.00 0.00 C HETATM 31 C23 UNL 1 -3.784 1.679 -0.790 1.00 0.00 C HETATM 32 O4 UNL 1 -4.018 2.672 -1.528 1.00 0.00 O HETATM 33 N5 UNL 1 -4.451 1.027 0.288 1.00 0.00 N HETATM 34 C24 UNL 1 -5.452 0.537 1.172 1.00 0.00 C HETATM 35 C25 UNL 1 -6.785 0.948 0.742 1.00 0.00 C HETATM 36 O5 UNL 1 -7.797 0.591 1.371 1.00 0.00 O HETATM 37 O6 UNL 1 -6.934 1.745 -0.375 1.00 0.00 O HETATM 38 H1 UNL 1 -6.290 -2.465 2.530 1.00 0.00 H HETATM 39 H2 UNL 1 -6.628 -0.782 2.972 1.00 0.00 H HETATM 40 H3 UNL 1 -5.007 -1.462 3.337 1.00 0.00 H HETATM 41 H4 UNL 1 -6.873 -2.159 0.268 1.00 0.00 H HETATM 42 H5 UNL 1 -5.201 -2.398 -0.324 1.00 0.00 H HETATM 43 H6 UNL 1 -6.163 -0.849 -0.694 1.00 0.00 H HETATM 44 H7 UNL 1 -2.616 1.237 1.437 1.00 0.00 H HETATM 45 H8 UNL 1 -2.730 -0.215 -1.294 1.00 0.00 H HETATM 46 H9 UNL 1 -1.347 2.395 -0.428 1.00 0.00 H HETATM 47 H10 UNL 1 1.404 1.890 -2.094 1.00 0.00 H HETATM 48 H11 UNL 1 2.052 -0.104 0.020 1.00 0.00 H HETATM 49 H12 UNL 1 4.623 -0.987 -3.707 1.00 0.00 H HETATM 50 H13 UNL 1 6.271 -2.780 -3.422 1.00 0.00 H HETATM 51 H14 UNL 1 7.437 -4.338 -2.151 1.00 0.00 H HETATM 52 H15 UNL 1 7.859 -5.377 0.073 1.00 0.00 H HETATM 53 H16 UNL 1 6.613 -4.615 2.075 1.00 0.00 H HETATM 54 H17 UNL 1 1.462 1.039 1.580 1.00 0.00 H HETATM 55 H18 UNL 1 1.738 2.706 3.342 1.00 0.00 H HETATM 56 H19 UNL 1 1.757 5.113 2.749 1.00 0.00 H HETATM 57 H20 UNL 1 1.500 5.761 0.441 1.00 0.00 H HETATM 58 H21 UNL 1 1.217 4.056 -1.349 1.00 0.00 H HETATM 59 H22 UNL 1 -5.201 0.890 2.206 1.00 0.00 H HETATM 60 H23 UNL 1 -7.076 2.736 -0.234 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 4 34 CONECT 3 41 42 43 CONECT 4 5 CONECT 5 6 33 44 CONECT 6 7 31 45 CONECT 7 8 46 CONECT 8 9 9 10 CONECT 10 11 25 47 CONECT 11 12 48 CONECT 12 13 13 14 CONECT 14 15 15 23 CONECT 15 16 49 CONECT 16 17 50 CONECT 17 18 18 22 CONECT 18 19 51 CONECT 19 20 20 52 CONECT 20 21 53 CONECT 21 22 22 CONECT 22 23 CONECT 23 24 24 CONECT 25 26 26 30 CONECT 26 27 54 CONECT 27 28 28 55 CONECT 28 29 56 CONECT 29 30 30 57 CONECT 30 58 CONECT 31 32 32 33 CONECT 33 34 CONECT 34 35 59 CONECT 35 36 36 37 CONECT 37 60 END